Tetrahydrofuran → 1-(4-Tert-butylphenyl)-3-[1-[3-ethynyl-4-(methanesulfonamido)phenyl]ethyl]urea
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([NH:13][CH:14]([CH3:15])[c:16]2[cH:17][c:18]([C:27]#[C:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[c:19]([NH:22][S:23](=[O:24])(=[O:25])[CH3:26])[cH:20][cH:21]2)=[O:33])[cH:9][cH:10]1.[CH2:35]([N+:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[F-:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([NH:13][CH:14]([CH3:15])[c:16]2[cH:17][c:18]([C:27]#[CH:28])[c:19]([NH:22][S:23](=[O:24])(=[O:25])[CH3:26])[cH:20][cH:21]2)=[O:33])[cH:9][cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-1b029eb6cfc045da9660df5b1b6165f0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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